![[[2-Keto-2-[[(1S)-1-phenylethyl]amino]ethyl]thio]methanethioic acid o-ethyl ester](/api/spectrum/9cZx4ylQIqw/structure.png?h=300&w=458 "[[2-Keto-2-[[(1S)-1-phenylethyl]amino]ethyl]thio]methanethioic acid o-ethyl ester")
| SpectraBase Compound ID | cVZML0CxXt |
|---|---|
| InChI | InChI=1S/C13H17NO2S2/c1-3-16-13(17)18-9-12(15)14-10(2)11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3,(H,14,15)/t10-/m0/s1 |
| InChIKey | RDLKHDICBFBQCW-JTQLQIEISA-N |
| Mol Weight | 283.4 g/mol |
| Molecular Formula | C13H17NO2S2 |
| Exact Mass | 283.070071 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9cZx4ylQIqw |
|---|---|
| Name | [[2-Keto-2-[[(1S)-1-phenylethyl]amino]ethyl]thio]methanethioic acid o-ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 283.070071137 u |
| Formula | C13H17NO2S2 |
| InChI | InChI=1S/C13H17NO2S2/c1-3-16-13(17)18-9-12(15)14-10(2)11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3,(H,14,15)/t10-/m0/s1 |
| InChIKey | RDLKHDICBFBQCW-JTQLQIEISA-N |
| SMILES | C(=S)(SCC(N[C@](C1=CC=CC=C1)(C)[H])=O)OCC |